4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide

C15H22FNO4 — CID 103890959

IUPAC4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
SMILESCCC(CO)(CO)NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO4/c1-2-15(10-18,11-19)17-14(20)4-3-9-21-13-7-5-12(16)6-8-13/h5-8,18-19H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyOLHJJIWGYMRQKT-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.23
Rot. Bonds9

About 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide

4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide (PubChem CID 103890959) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
PubChem CID103890959
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
SMILESCCC(CO)(CO)NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO4/c1-2-15(10-18,11-19)17-14(20)4-3-9-21-13-7-5-12(16)6-8-13/h5-8,18-19H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyOLHJJIWGYMRQKT-UHFFFAOYSA-N
XLogP1.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 103602252
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
CID 106810519
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107843409

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide (CID 103890959) is 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide is CCC(CO)(CO)NC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
The InChIKey is OLHJJIWGYMRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-2-15(10-18,11-19)17-14(20)4-3-9-21-13-7-5-12(16)6-8-13/h5-8,18-19H,2-4,9-11H2,1H3,(H,17,20).
What are the key properties of 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide has a molecular weight of 299.34 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide is sourced from PubChem (CID 103890959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).